Publications

Photodesorption mechanism of water on WO3(001) - a combined embedded cluster, computational intelligence and wave packet approach, Thomas Teusch, Thorsten Klüner, Physical Chemistry Chemical Physics, 22, 19267-19274, (2020)
2019
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Molecular Oxygen Binding in the Mitochondrial Electron Transfer Flavoprotein, Peter Husen, Claus Nielsen, Carlos F. Martino, Ilia A. Solov'yov, Journal of Chemical Information and Modeling, 59, 4868-4879, (2019)
MolSpin — Flexible and extensible general spin dynamics software, Claus Nielsen, Ilia A. Solov'yov, Journal of Physical Chemistry, 151, 194105-(1-13), (2019)
Prechondrogenic ATDC5 cell attachment and differentiation on graphene foam; modulation by surface functionalization with fibronectin, Stephanie M Frahs, Jonathon C Reeck, Katie M. Yocham, Anders Frederiksen, Kiyo Fujimoto, Crystal M Scott, Richard S Beard, Raquel Brown, Trevor J Lujan, Ilia A. Solov'yov, David Estrada, Julia Thom Oxford, ACS Applied Materials and Interfaces, 11, 41906-41924, (2019)
Modeling elastic properties of polystyrene through coarse-grained molecular dynamics simulations, Yaroslav M. Beltukov, Igor Gula, Alexander M. Samsonov, Ilia A. Solov'yov, European Physical Journal D, 73, 226-238, (2019)
Towards predicting intracellular radiofrequency radiation effects, Claus Nielsen, Ron Hui, Wing-Yee Lui, Ilia A. Solov'yov, PLoS ONE, 14, e0213286, (2019)
Modeling MesoBioNano systems with MBN Studio made easy, Gennady B.Sushko, Ilia A.Solov'yov, Andrey V.Solov'yov, Journal of Molecular Graphics and Modelling, 88, 247-260, (2019)
Application of molecular modeling to flavoproteins: insights and challenges, Emil Sjulstok, Ilia A. Solov'yov, Peter L. Freddolino, in: Methods in Enzymology: New approaches for Flavin Catalysis, edited by: Bruce A. Palfey, 277-314, Elsevier Aademic Press, (2019)
Understanding the Water Splitting Mechanism on WO3(001)-A Theoretical Approach, Thomas Teusch, Thorsten Klüner, Journal of Physical Chemistry C, 123, 28233-28240, (2019)